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Cyclopamine

AlkaPlorer ID: AK013145

Synonym: None

IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-4-ium]-3-ol

Structure

SMILES: CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C

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InChI: InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/p+1/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1

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InChIKey: QASFUMOKHFSJGL-LAFRSMQTSA-O

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Properties Information

Molecule Weight: 412.6380000000002

TPSA？: 46.07

MolLogP？: 3.9757000000000016

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Electrophorus electricus Acetylcholinesterase Inhibition -3.81 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition 5.84 % 10.1016/j.bmc.2012.09.040
Homo sapiens 697 IC50 26615.51 nM 10.6019/CHEMBL1201861
Homo sapiens 8-MG-BA IC50 13112.29 nM 10.6019/CHEMBL1201861
Homo sapiens A101D IC50 1991676.45 nM 10.6019/CHEMBL1201861
Homo sapiens A253 cell line IC50 1222835.96 nM 10.6019/CHEMBL1201861
Homo sapiens A388 IC50 42584.83 nM 10.6019/CHEMBL1201861
Homo sapiens A3-KAW IC50 947757.81 nM 10.6019/CHEMBL1201861
Homo sapiens A498 IC50 1359063.31 nM 10.6019/CHEMBL1201861
Homo sapiens A4-Fuk IC50 3130321.52 nM 10.6019/CHEMBL1201861
Homo sapiens A549 IC50 49000.0 nM 10.1016/j.bmcl.2008.01.017
Homo sapiens ACN IC50 493598.78 nM 10.6019/CHEMBL1201861
Homo sapiens Adhesion G-protein coupled receptor F1 %Inhib (Mean) -39.64 % 10.6019/CHEMBL5209801
Homo sapiens Adhesion G-protein coupled receptor F1 %Inhib (Mean) 0.19 % 10.6019/CHEMBL5209801
Homo sapiens Adhesion G-protein coupled receptor F1 %Inhib (Mean) 0.66 % 10.6019/CHEMBL5209801
Homo sapiens Adhesion G-protein coupled receptor F1 %Inhib (Mean) 17.15 % 10.6019/CHEMBL5209801
Homo sapiens Adhesion G-protein coupled receptor F1 %Max (Mean) 0.9285 % 10.6019/CHEMBL5209801
Homo sapiens ALL-PO IC50 11773.43 nM 10.6019/CHEMBL1201861
Homo sapiens Alpha-2a adrenergic receptor %Inhib (Mean) -19.94 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2a adrenergic receptor %Inhib (Mean) -18.8 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2a adrenergic receptor %Inhib (Mean) -11.06 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2a adrenergic receptor %Inhib (Mean) -7.07 % 10.6019/CHEMBL5209801
Homo sapiens Alpha-2a adrenergic receptor %Max (Mean) 0.7 % 10.6019/CHEMBL5209801
Homo sapiens AM-38 IC50 2452276.36 nM 10.6019/CHEMBL1201861
Homo sapiens Apelin receptor %Inhib (Mean) -47.12 % 10.6019/CHEMBL5209801
Homo sapiens Apelin receptor %Inhib (Mean) -10.8 % 10.6019/CHEMBL5209801
Homo sapiens Apelin receptor %Inhib (Mean) 13.46 % 10.6019/CHEMBL5209801
Homo sapiens Apelin receptor %Inhib (Mean) 15.79 % 10.6019/CHEMBL5209801
Homo sapiens Apelin receptor %Max (Mean) -0.093 % 10.6019/CHEMBL5209801
Homo sapiens ARH-77 IC50 394007.52 nM 10.6019/CHEMBL1201861
Homo sapiens ATN-1 IC50 31232.87 nM 10.6019/CHEMBL1201861
Homo sapiens BB30-HNC IC50 34330.56 nM 10.6019/CHEMBL1201861
Homo sapiens BB49-HNC IC50 1119486.08 nM 10.6019/CHEMBL1201861
Homo sapiens BB65-RCC IC50 376245.18 nM 10.6019/CHEMBL1201861
Homo sapiens BC-3 IC50 265177.92 nM 10.6019/CHEMBL1201861
Homo sapiens BE-13 IC50 99047.74 nM 10.6019/CHEMBL1201861
Homo sapiens Becker IC50 174180.13 nM 10.6019/CHEMBL1201861
Homo sapiens Beta-2 adrenergic receptor %Inhib (Mean) -38.86 % 10.6019/CHEMBL5209801
Homo sapiens Beta-2 adrenergic receptor %Inhib (Mean) 3.7 % 10.6019/CHEMBL5209801
Homo sapiens Beta-2 adrenergic receptor %Inhib (Mean) 13.23 % 10.6019/CHEMBL5209801
Homo sapiens Beta-2 adrenergic receptor %Inhib (Mean) 29.72 % 10.6019/CHEMBL5209801
Homo sapiens Beta-2 adrenergic receptor %Max (Mean) 0.05 % 10.6019/CHEMBL5209801
Homo sapiens BL-41 IC50 637392.1 nM 10.6019/CHEMBL1201861
Homo sapiens BL-70 IC50 123126.96 nM 10.6019/CHEMBL1201861
Homo sapiens Bromodomain-containing protein 4 Delta TM 0.1283 C None
Homo sapiens BT-474 IC50 1491197.85 nM 10.6019/CHEMBL1201861
Homo sapiens BV-173 IC50 100324.91 nM 10.6019/CHEMBL1201861
Homo sapiens C2BBe1 IC50 791158.24 nM 10.6019/CHEMBL1201861
Homo sapiens C5a anaphylatoxin chemotactic receptor %Inhib (Mean) -26.33 % 10.6019/CHEMBL5209801
Homo sapiens C5a anaphylatoxin chemotactic receptor %Inhib (Mean) -24.82 % 10.6019/CHEMBL5209801
Homo sapiens C5a anaphylatoxin chemotactic receptor %Inhib (Mean) -19.54 % 10.6019/CHEMBL5209801
Homo sapiens C5a anaphylatoxin chemotactic receptor %Inhib (Mean) -9.932 % 10.6019/CHEMBL5209801
Homo sapiens C5a anaphylatoxin chemotactic receptor %Max (Mean) -0.6059 % 10.6019/CHEMBL5209801
Homo sapiens C8166 IC50 1801837.04 nM 10.6019/CHEMBL1201861
Homo sapiens CA46 IC50 899709.56 nM 10.6019/CHEMBL1201861
Homo sapiens CAL-148 IC50 1121755.33 nM 10.6019/CHEMBL1201861
Homo sapiens Calu-6 IC50 475265.22 nM 10.6019/CHEMBL1201861
Homo sapiens CAS-1 IC50 472072.7 nM 10.6019/CHEMBL1201861
Homo sapiens Casein kinase I delta Delta TM 0.01021 C None
Homo sapiens CCRF-CEM IC50 1187628.81 nM 10.6019/CHEMBL1201861
Homo sapiens CESS IC50 44223.22 nM 10.6019/CHEMBL1201861
Homo sapiens CGTH-W-1 IC50 1290703.89 nM 10.6019/CHEMBL1201861
Homo sapiens CHP-126 IC50 1590964.95 nM 10.6019/CHEMBL1201861
Homo sapiens CMK IC50 149515.04 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-320-HSR IC50 522594.07 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-668 IC50 1139590.2 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-684 IC50 575658.15 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-800 IC50 1824512.3 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-824 IC50 1750486.45 nM 10.6019/CHEMBL1201861
Homo sapiens COLO-829 IC50 26848.31 nM 10.6019/CHEMBL1201861
Homo sapiens COR-L279 IC50 291584.25 nM 10.6019/CHEMBL1201861
Homo sapiens COR-L88 IC50 564885.47 nM 10.6019/CHEMBL1201861
Homo sapiens CP66-MEL IC50 1098903.34 nM 10.6019/CHEMBL1201861
Homo sapiens CPC-N IC50 788319.92 nM 10.6019/CHEMBL1201861
Homo sapiens CTB-1 IC50 269972.74 nM 10.6019/CHEMBL1201861
Homo sapiens CTV-1 IC50 51074.02 nM 10.6019/CHEMBL1201861
Homo sapiens CW-2 IC50 1089655.64 nM 10.6019/CHEMBL1201861
Homo sapiens C-X3-C chemokine receptor 1 %Inhib (Mean) -29.75 % 10.6019/CHEMBL5209801
Homo sapiens C-X3-C chemokine receptor 1 %Inhib (Mean) -12.61 % 10.6019/CHEMBL5209801
Homo sapiens C-X3-C chemokine receptor 1 %Inhib (Mean) -5.54 % 10.6019/CHEMBL5209801
Homo sapiens C-X3-C chemokine receptor 1 %Inhib (Mean) -4.33 % 10.6019/CHEMBL5209801
Homo sapiens C-X3-C chemokine receptor 1 %Max (Mean) -0.6654 % 10.6019/CHEMBL5209801
Homo sapiens Cyclin-dependent kinase 2 Delta TM -0.1241 C None
Homo sapiens D-247MG IC50 73544.16 nM 10.6019/CHEMBL1201861
Homo sapiens D-263MG IC50 1301475.63 nM 10.6019/CHEMBL1201861
Homo sapiens D283 Med IC50 3457537.81 nM 10.6019/CHEMBL1201861
Homo sapiens D-336MG IC50 260697.83 nM 10.6019/CHEMBL1201861
Homo sapiens D-392MG IC50 40221.47 nM 10.6019/CHEMBL1201861
Homo sapiens D-502MG IC50 51627.11 nM 10.6019/CHEMBL1201861
Homo sapiens D-542MG IC50 68413.49 nM 10.6019/CHEMBL1201861
Homo sapiens Daudi IC50 191128.31 nM 10.6019/CHEMBL1201861
Homo sapiens DB IC50 1402980.25 nM 10.6019/CHEMBL1201861
Homo sapiens DEL IC50 20147.13 nM 10.6019/CHEMBL1201861
Homo sapiens DG-75 IC50 415697.99 nM 10.6019/CHEMBL1201861
Homo sapiens DJM-1 IC50 56339.11 nM 10.6019/CHEMBL1201861
Homo sapiens DMS-114 IC50 1056144.19 nM 10.6019/CHEMBL1201861
Homo sapiens DMS-153 IC50 2225760.65 nM 10.6019/CHEMBL1201861
Homo sapiens DMS-79 IC50 666993.3 nM 10.6019/CHEMBL1201861
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 12589.3 nM None
Homo sapiens DOHH-2 IC50 9356.89 nM 10.6019/CHEMBL1201861
Homo sapiens DSH1 IC50 1625661.36 nM 10.6019/CHEMBL1201861
Homo sapiens DU-145 Activity nan None 10.1016/j.bmc.2008.01.012
Homo sapiens DU-4475 IC50 3403453.74 nM 10.6019/CHEMBL1201861
Homo sapiens EB2 IC50 1570741.37 nM 10.6019/CHEMBL1201861
Homo sapiens EB-3 IC50 123093.72 nM 10.6019/CHEMBL1201861
Homo sapiens ECC12 IC50 753333.48 nM 10.6019/CHEMBL1201861
Homo sapiens ECC4 IC50 1145895.84 nM 10.6019/CHEMBL1201861
Homo sapiens EC-GI-10 IC50 3213355.51 nM 10.6019/CHEMBL1201861
Homo sapiens EKVX IC50 814978.72 nM 10.6019/CHEMBL1201861
Homo sapiens EM-2 IC50 1644975.88 nM 10.6019/CHEMBL1201861
Homo sapiens EOL1 IC50 18594.8 nM 10.6019/CHEMBL1201861
Homo sapiens ES1 IC50 452753.13 nM 10.6019/CHEMBL1201861
Homo sapiens ES3 IC50 524727.98 nM 10.6019/CHEMBL1201861
Homo sapiens ES4 IC50 223783.49 nM 10.6019/CHEMBL1201861
Homo sapiens ES5 IC50 2701706.8 nM 10.6019/CHEMBL1201861
Homo sapiens ES6 IC50 239429.5 nM 10.6019/CHEMBL1201861
Homo sapiens ES7 IC50 1634159.69 nM 10.6019/CHEMBL1201861
Homo sapiens ES8 IC50 294181.52 nM 10.6019/CHEMBL1201861
Homo sapiens ETK-1 IC50 1259839.99 nM 10.6019/CHEMBL1201861
Homo sapiens EVSA-T IC50 27556.1 nM 10.6019/CHEMBL1201861
Homo sapiens EW-1 IC50 1082140.17 nM 10.6019/CHEMBL1201861
Homo sapiens EW-11 IC50 936303.8 nM 10.6019/CHEMBL1201861
Homo sapiens EW-12 IC50 2569339.14 nM 10.6019/CHEMBL1201861
Homo sapiens EW-13 IC50 2053943.74 nM 10.6019/CHEMBL1201861
Homo sapiens EW-16 IC50 1882597.97 nM 10.6019/CHEMBL1201861
Homo sapiens EW-18 IC50 557314.1 nM 10.6019/CHEMBL1201861
Homo sapiens EW-24 IC50 1521331.17 nM 10.6019/CHEMBL1201861
Homo sapiens EW-3 IC50 507383.94 nM 10.6019/CHEMBL1201861
Homo sapiens Fibroblast Growth Rate 0.0 None 10.6019/CHEMBL4689842
Homo sapiens Fibroblast Growth Rate 1.0 None 10.6019/CHEMBL4689842
Homo sapiens Fibroblast growth factor receptor 3 Delta TM 0.2782 C None
Homo sapiens GAK IC50 2369020.84 nM 10.6019/CHEMBL1201861
Homo sapiens GB-1 IC50 149321.99 nM 10.6019/CHEMBL1201861
Homo sapiens GCIY IC50 99095.4 nM 10.6019/CHEMBL1201861
Homo sapiens GDM-1 IC50 2758661.84 nM 10.6019/CHEMBL1201861
Homo sapiens GI-1 IC50 56614.95 nM 10.6019/CHEMBL1201861
Homo sapiens GI-ME-N IC50 187968.8 nM 10.6019/CHEMBL1201861
Homo sapiens Glucagon-like peptide 1 receptor %Inhib (Mean) -11.12 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon-like peptide 1 receptor %Inhib (Mean) -3.11 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon-like peptide 1 receptor %Inhib (Mean) 3.49 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon-like peptide 1 receptor %Inhib (Mean) 14.01 % 10.6019/CHEMBL5209801
Homo sapiens Glucagon-like peptide 1 receptor %Max (Mean) -0.17 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Inhib (Mean) -25.08 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Inhib (Mean) -11.16 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Inhib (Mean) -8.99 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Inhib (Mean) 4.67 % 10.6019/CHEMBL5209801
Homo sapiens Glucose-dependent insulinotropic receptor %Max (Mean) -0.7863 % 10.6019/CHEMBL5209801
Homo sapiens Glycogen synthase kinase-3 beta Delta TM -0.3862 C None
Homo sapiens GOTO IC50 1314889.62 nM 10.6019/CHEMBL1201861
Homo sapiens G-protein coupled receptor 120 %Inhib (Mean) -35.6 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 120 %Inhib (Mean) -18.43 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 120 %Inhib (Mean) 5.8 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 120 %Inhib (Mean) 20.3 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 120 %Max (Mean) -1.0 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 35 %Inhib (Mean) -10.51 % 10.6019/CHEMBL5209801
Homo sapiens G-protein coupled receptor 35 %Max (Mean) 14.17 % 10.6019/CHEMBL5209801
Homo sapiens GR-ST IC50 527231.64 nM 10.6019/CHEMBL1201861
Homo sapiens GT3TKB IC50 1972261.24 nM 10.6019/CHEMBL1201861
Homo sapiens H4 Activity 75.21 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 91.74 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 96.38 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 103.97 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 108.75 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 109.69 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 110.76 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 111.02 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 313.88 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 511.72 % 10.1073/pnas.0709695104
Homo sapiens H4 Activity 1564.12 % 10.1073/pnas.0709695104
Homo sapiens HAL-01 IC50 379838.06 nM 10.6019/CHEMBL1201861
Homo sapiens HC-1 IC50 367787.38 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1187 IC50 282811.33 nM 10.6019/CHEMBL1201861
Homo sapiens HCC1599 IC50 84283.74 nM 10.6019/CHEMBL1201861
Homo sapiens HCC2157 IC50 657652.06 nM 10.6019/CHEMBL1201861
Homo sapiens HCC2218 IC50 266415.47 nM 10.6019/CHEMBL1201861
Homo sapiens HCC 2998 IC50 1361732.41 nM 10.6019/CHEMBL1201861
Homo sapiens HCE-T IC50 502130.48 nM 10.6019/CHEMBL1201861
Homo sapiens HDLM-2 IC50 1129362.96 nM 10.6019/CHEMBL1201861
Homo sapiens HD-MY-Z IC50 118487.92 nM 10.6019/CHEMBL1201861
Homo sapiens HEK-293T Growth Rate 0.0 None 10.6019/CHEMBL4689842
Homo sapiens HEL IC50 309148.89 nM 10.6019/CHEMBL1201861
Homo sapiens HH IC50 117394.61 nM 10.6019/CHEMBL1201861
Homo sapiens HL-60 IC50 4041681.11 nM 10.6019/CHEMBL1201861
Homo sapiens HOP-62 IC50 1603509.59 nM 10.6019/CHEMBL1201861
Homo sapiens HT IC50 367711.26 nM 10.6019/CHEMBL1201861
Homo sapiens HT-144 IC50 133163.54 nM 10.6019/CHEMBL1201861
Homo sapiens HuTu80 IC50 419185.27 nM 10.6019/CHEMBL1201861
Homo sapiens IM-9 IC50 1851888.11 nM 10.6019/CHEMBL1201861
Homo sapiens IMR-5 IC50 1235385.07 nM 10.6019/CHEMBL1201861
Homo sapiens IST-MEL1 IC50 513725.97 nM 10.6019/CHEMBL1201861
Homo sapiens IST-MES1 IC50 60549.31 nM 10.6019/CHEMBL1201861
Homo sapiens IST-SL1 IC50 690277.02 nM 10.6019/CHEMBL1201861
Homo sapiens IST-SL2 IC50 38223.98 nM 10.6019/CHEMBL1201861
Homo sapiens JAR IC50 256225.27 nM 10.6019/CHEMBL1201861
Homo sapiens JIYOYE IC50 828781.04 nM 10.6019/CHEMBL1201861
Homo sapiens J-RT3-T3-5 IC50 1595065.37 nM 10.6019/CHEMBL1201861
Homo sapiens JVM-2 IC50 1024344.32 nM 10.6019/CHEMBL1201861
Homo sapiens JVM-3 IC50 2790095.21 nM 10.6019/CHEMBL1201861
Homo sapiens K052 IC50 2463077.84 nM 10.6019/CHEMBL1201861
Homo sapiens K5 IC50 2214847.87 nM 10.6019/CHEMBL1201861
Homo sapiens K562 IC50 126244.69 nM 10.6019/CHEMBL1201861
Homo sapiens KALS-1 IC50 115941.3 nM 10.6019/CHEMBL1201861
Homo sapiens KARPAS-299 IC50 149120.25 nM 10.6019/CHEMBL1201861
Homo sapiens KARPAS-422 IC50 228351.7 nM 10.6019/CHEMBL1201861
Homo sapiens KARPAS-45 IC50 84699.19 nM 10.6019/CHEMBL1201861
Homo sapiens Kasumi 1 IC50 2280652.81 nM 10.6019/CHEMBL1201861
Homo sapiens KE-37 IC50 66266.8 nM 10.6019/CHEMBL1201861
Homo sapiens KG-1 IC50 478440.09 nM 10.6019/CHEMBL1201861
Homo sapiens KGN IC50 1893177.66 nM 10.6019/CHEMBL1201861
Homo sapiens KINGS-1 IC50 310674.27 nM 10.6019/CHEMBL1201861
Homo sapiens KM12 IC50 496589.14 nM 10.6019/CHEMBL1201861
Homo sapiens KM-H2 IC50 1287965.34 nM 10.6019/CHEMBL1201861
Homo sapiens KMOE-2 IC50 456710.63 nM 10.6019/CHEMBL1201861
Homo sapiens KMS-12-PE IC50 189273.3 nM 10.6019/CHEMBL1201861
Homo sapiens KNS-42 IC50 425814.58 nM 10.6019/CHEMBL1201861
Homo sapiens KNS-81-FD IC50 241197.23 nM 10.6019/CHEMBL1201861
Homo sapiens KP-N-YN IC50 3187553.58 nM 10.6019/CHEMBL1201861
Homo sapiens KP-N-YS IC50 168395.27 nM 10.6019/CHEMBL1201861
Homo sapiens KS-1 IC50 101639.17 nM 10.6019/CHEMBL1201861
Homo sapiens KU812 cell line IC50 161901.64 nM 10.6019/CHEMBL1201861
Homo sapiens KURAMOCHI IC50 2620574.9 nM 10.6019/CHEMBL1201861
Homo sapiens KY821 IC50 336594.52 nM 10.6019/CHEMBL1201861
Homo sapiens L-363 IC50 31746.1 nM 10.6019/CHEMBL1201861
Homo sapiens L-428 IC50 842063.14 nM 10.6019/CHEMBL1201861
Homo sapiens L-540 IC50 431030.99 nM 10.6019/CHEMBL1201861
Homo sapiens LAMA-84 IC50 32521.1 nM 10.6019/CHEMBL1201861
Homo sapiens LAN-6 IC50 2771256.21 nM 10.6019/CHEMBL1201861
Homo sapiens LB1047-RCC IC50 266752.96 nM 10.6019/CHEMBL1201861
Homo sapiens LB2241-RCC IC50 116679.4 nM 10.6019/CHEMBL1201861
Homo sapiens LB2518-MEL IC50 100789.18 nM 10.6019/CHEMBL1201861
Homo sapiens LB373-MEL-D IC50 577685.73 nM 10.6019/CHEMBL1201861
Homo sapiens LB647-SCLC IC50 175845.36 nM 10.6019/CHEMBL1201861
Homo sapiens LB771-HNC IC50 482231.84 nM 10.6019/CHEMBL1201861
Homo sapiens LB831-BLC IC50 977549.57 nM 10.6019/CHEMBL1201861
Homo sapiens LB996-RCC IC50 191698.53 nM 10.6019/CHEMBL1201861
Homo sapiens LC-1F IC50 1748549.73 nM 10.6019/CHEMBL1201861
Homo sapiens LC-2-ad IC50 900893.46 nM 10.6019/CHEMBL1201861
Homo sapiens LC4-1 IC50 40871.62 nM 10.6019/CHEMBL1201861
Homo sapiens Lipoxin A4 receptor %Inhib (Mean) -23.93 % 10.6019/CHEMBL5209801
Homo sapiens Lipoxin A4 receptor %Inhib (Mean) -16.09 % 10.6019/CHEMBL5209801
Homo sapiens Lipoxin A4 receptor %Inhib (Mean) -7.19 % 10.6019/CHEMBL5209801
Homo sapiens Lipoxin A4 receptor %Inhib (Mean) 1.21 % 10.6019/CHEMBL5209801
Homo sapiens Lipoxin A4 receptor %Max (Mean) -3.02 % 10.6019/CHEMBL5209801
Homo sapiens LNCaP-Clone-FGC IC50 1129081.78 nM 10.6019/CHEMBL1201861
Homo sapiens LOUCY IC50 1635073.44 nM 10.6019/CHEMBL1201861
Homo sapiens LOX IMVI IC50 53588.37 nM 10.6019/CHEMBL1201861
Homo sapiens LP-1 IC50 82873.14 nM 10.6019/CHEMBL1201861
Homo sapiens LS-1034 IC50 501429.99 nM 10.6019/CHEMBL1201861
Homo sapiens LS-123 IC50 1129321.17 nM 10.6019/CHEMBL1201861
Homo sapiens LS-411N IC50 354660.5 nM 10.6019/CHEMBL1201861
Homo sapiens LS-513 IC50 11354.73 nM 10.6019/CHEMBL1201861
Homo sapiens LU-134-A IC50 3816320.43 nM 10.6019/CHEMBL1201861
Homo sapiens LU-139 IC50 178019.31 nM 10.6019/CHEMBL1201861
Homo sapiens LU-165 IC50 1328375.44 nM 10.6019/CHEMBL1201861
Homo sapiens Lu-65 IC50 1476786.91 nM 10.6019/CHEMBL1201861
Homo sapiens LXF-289 cell line IC50 139781.15 nM 10.6019/CHEMBL1201861
Homo sapiens MAP kinase ERK2 Delta TM 0.2832 C None
Homo sapiens MC116 IC50 458116.26 nM 10.6019/CHEMBL1201861
Homo sapiens MC-CAR IC50 202252.52 nM 10.6019/CHEMBL1201861
Homo sapiens MDA-MB-134-VI IC50 3308198.3 nM 10.6019/CHEMBL1201861
Homo sapiens MEG-01 IC50 657713.88 nM 10.6019/CHEMBL1201861
Homo sapiens MFH-ino IC50 634688.93 nM 10.6019/CHEMBL1201861
Homo sapiens MFM-223 IC50 3462201.72 nM 10.6019/CHEMBL1201861
Homo sapiens MHH-CALL-2 IC50 1133572.01 nM 10.6019/CHEMBL1201861
Homo sapiens MHH-NB-11 IC50 1194716.26 nM 10.6019/CHEMBL1201861
Homo sapiens MHH-PREB-1 IC50 72844.13 nM 10.6019/CHEMBL1201861
Homo sapiens ML-2 IC50 52919.51 nM 10.6019/CHEMBL1201861
Homo sapiens MLMA IC50 1822162.02 nM 10.6019/CHEMBL1201861
Homo sapiens MMAC-SF IC50 2050438.6 nM 10.6019/CHEMBL1201861
Homo sapiens MN-60 IC50 3058007.99 nM 10.6019/CHEMBL1201861
Homo sapiens Mo IC50 3383594.89 nM 10.6019/CHEMBL1201861
Homo sapiens MOLT-16 IC50 104986.1 nM 10.6019/CHEMBL1201861
Homo sapiens MOLT-4 IC50 2457316.06 nM 10.6019/CHEMBL1201861
Homo sapiens MONO-MAC-6 IC50 960154.3 nM 10.6019/CHEMBL1201861
Homo sapiens MPP-89 IC50 156034.95 nM 10.6019/CHEMBL1201861
Homo sapiens MRK-nu-1 IC50 73470.5 nM 10.6019/CHEMBL1201861
Homo sapiens MS-1 IC50 50935.09 nM 10.6019/CHEMBL1201861
Homo sapiens MSTO-211H IC50 1387541.84 nM 10.6019/CHEMBL1201861
Homo sapiens MV4-11 IC50 60653.78 nM 10.6019/CHEMBL1201861
Homo sapiens MZ1-PC IC50 345617.96 nM 10.6019/CHEMBL1201861
Homo sapiens MZ2-MEL IC50 858326.87 nM 10.6019/CHEMBL1201861
Homo sapiens MZ7-mel IC50 397233.0 nM 10.6019/CHEMBL1201861
Homo sapiens NALM-6 IC50 19016.69 nM 10.6019/CHEMBL1201861
Homo sapiens NB1 IC50 260515.93 nM 10.6019/CHEMBL1201861
Homo sapiens NB10 IC50 441233.85 nM 10.6019/CHEMBL1201861
Homo sapiens NB12 IC50 513476.88 nM 10.6019/CHEMBL1201861
Homo sapiens NB13 IC50 2338310.64 nM 10.6019/CHEMBL1201861
Homo sapiens NB14 IC50 1464827.84 nM 10.6019/CHEMBL1201861
Homo sapiens NB17 IC50 851976.55 nM 10.6019/CHEMBL1201861
Homo sapiens NB5 IC50 3832060.78 nM 10.6019/CHEMBL1201861
Homo sapiens NB6 IC50 1484604.97 nM 10.6019/CHEMBL1201861
Homo sapiens NB69 IC50 2112249.98 nM 10.6019/CHEMBL1201861
Homo sapiens NB7 IC50 270999.51 nM 10.6019/CHEMBL1201861
Homo sapiens NCCIT IC50 112529.45 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1092 IC50 3164195.13 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1155 IC50 3698050.25 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H128 IC50 1418884.1 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1304 IC50 2122835.56 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1355 IC50 135587.07 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1395 IC50 179995.89 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1417 IC50 3574669.49 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1436 IC50 1150314.89 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1522 IC50 2470510.28 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1581 IC50 538392.58 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1648 IC50 229489.21 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1650 IC50 2990769.53 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1694 IC50 372934.2 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1770 IC50 108784.19 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1838 IC50 1289397.07 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H187 IC50 2541132.18 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1882 IC50 2637999.12 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H1963 IC50 1958372.4 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2081 IC50 2009839.2 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H209 IC50 1285035.98 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2107 IC50 193739.41 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2126 IC50 2042202.17 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2141 IC50 2711133.25 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2171 IC50 2724180.7 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2196 IC50 973559.56 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H2227 IC50 974825.03 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H226 IC50 1858412.67 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H23 IC50 2816606.3 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H322M IC50 1409788.54 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H345 IC50 2131499.5 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H446 IC50 957784.69 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H510A IC50 1896599.83 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H524 IC50 2676381.57 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H526 IC50 2690278.5 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H64 IC50 653545.4 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H69 IC50 142932.43 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H716 IC50 3589154.72 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H719 IC50 1669636.14 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H720 IC50 714877.36 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H747 IC50 1047988.61 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H748 IC50 1363911.56 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H82 IC50 110975.78 nM 10.6019/CHEMBL1201861
Homo sapiens NCI-H889 IC50 1274583.83 nM 10.6019/CHEMBL1201861
Homo sapiens NEC8 IC50 165025.66 nM 10.6019/CHEMBL1201861
Homo sapiens NH-12 IC50 1868148.29 nM 10.6019/CHEMBL1201861
Homo sapiens NKM-1 IC50 2669202.45 nM 10.6019/CHEMBL1201861
Homo sapiens NMC-G1 IC50 1458926.25 nM 10.6019/CHEMBL1201861
Homo sapiens no-10 IC50 9903.9 nM 10.6019/CHEMBL1201861
Homo sapiens no-11 IC50 40552.08 nM 10.6019/CHEMBL1201861
Homo sapiens NOMO-1 IC50 182850.34 nM 10.6019/CHEMBL1201861
Homo sapiens NOS-1 IC50 34295.6 nM 10.6019/CHEMBL1201861
Homo sapiens NTERA-2-cl-D1 IC50 42707.43 nM 10.6019/CHEMBL1201861
Homo sapiens OCI-AML2 IC50 76936.85 nM 10.6019/CHEMBL1201861
Homo sapiens OCUB-M IC50 1379674.66 nM 10.6019/CHEMBL1201861
Homo sapiens OMC-1 IC50 2011662.96 nM 10.6019/CHEMBL1201861
Homo sapiens ONS-76 IC50 1336302.83 nM 10.6019/CHEMBL1201861
Homo sapiens OPM-2 IC50 1062631.86 nM 10.6019/CHEMBL1201861
Homo sapiens OS-RC-2 IC50 5866.6 nM 10.6019/CHEMBL1201861
Homo sapiens OVCAR-4 IC50 63565.7 nM 10.6019/CHEMBL1201861
Homo sapiens P30-OHK IC50 1362549.7 nM 10.6019/CHEMBL1201861
Homo sapiens P31-FUJ IC50 2376901.43 nM 10.6019/CHEMBL1201861
Homo sapiens Peregrin Delta TM 0.1618 C None
Homo sapiens PF-382 IC50 134361.38 nM 10.6019/CHEMBL1201861
Homo sapiens PSN1 IC50 1393175.57 nM 10.6019/CHEMBL1201861
Homo sapiens QIMR-WIL IC50 179646.31 nM 10.6019/CHEMBL1201861
Homo sapiens Raji IC50 468143.09 nM 10.6019/CHEMBL1201861
Homo sapiens Ramos-2G6-4C10 IC50 169914.78 nM 10.6019/CHEMBL1201861
Homo sapiens RCC10RGB IC50 460005.29 nM 10.6019/CHEMBL1201861
Homo sapiens REH IC50 162125.22 nM 10.6019/CHEMBL1201861
Homo sapiens RH-1 IC50 2612505.5 nM 10.6019/CHEMBL1201861
Homo sapiens RKO IC50 541621.82 nM 10.6019/CHEMBL1201861
Homo sapiens RL IC50 1515886.96 nM 10.6019/CHEMBL1201861
Homo sapiens RL95-2 IC50 460236.74 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-6666 IC50 2000131.09 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-8226 IC50 135045.13 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI 8402 IC50 15853.7 nM 10.6019/CHEMBL1201861
Homo sapiens RPMI-8866 IC50 3101614.31 nM 10.6019/CHEMBL1201861
Homo sapiens RS4-11 IC50 49093.81 nM 10.6019/CHEMBL1201861
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 6309.6 nM None
Homo sapiens RXF 393 IC50 1457957.85 nM 10.6019/CHEMBL1201861
Homo sapiens SBC-1 IC50 2656931.06 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-15 IC50 4766687.99 nM 10.6019/CHEMBL1201861
Homo sapiens SCC-3 IC50 810062.98 nM 10.6019/CHEMBL1201861
Homo sapiens SCH IC50 3559651.76 nM 10.6019/CHEMBL1201861
Homo sapiens SCLC-21H IC50 2851820.95 nM 10.6019/CHEMBL1201861
Homo sapiens Serine/threonine-protein kinase Aurora-A Delta TM 0.1057 C None
Homo sapiens SF-126 IC50 1750551.22 nM 10.6019/CHEMBL1201861
Homo sapiens SF-268 IC50 508152.7 nM 10.6019/CHEMBL1201861
Homo sapiens SF-539 IC50 574622.33 nM 10.6019/CHEMBL1201861
Homo sapiens SH-4 IC50 427564.86 nM 10.6019/CHEMBL1201861
Homo sapiens SHP77 IC50 1307146.77 nM 10.6019/CHEMBL1201861
Homo sapiens SIG-M5 IC50 359781.53 nM 10.6019/CHEMBL1201861
Homo sapiens SIMA IC50 403933.39 nM 10.6019/CHEMBL1201861
Homo sapiens SJSA-1 IC50 510336.85 nM 10.6019/CHEMBL1201861
Homo sapiens SK-LMS-1 IC50 815035.77 nM 10.6019/CHEMBL1201861
Homo sapiens SKM-1 IC50 2726821.71 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-1 IC50 147130.36 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MEL-2 IC50 2454238.97 nM 10.6019/CHEMBL1201861
Homo sapiens SK-MM-2 IC50 1207534.55 nM 10.6019/CHEMBL1201861
Homo sapiens SK-N-DZ IC50 1902840.41 nM 10.6019/CHEMBL1201861
Homo sapiens SK-NEP-1 IC50 53392.32 nM 10.6019/CHEMBL1201861
Homo sapiens SK-N-FI IC50 3394385.42 nM 10.6019/CHEMBL1201861
Homo sapiens SK-PN-DW IC50 194718.9 nM 10.6019/CHEMBL1201861
Homo sapiens SK-UT-1 IC50 824491.64 nM 10.6019/CHEMBL1201861
Homo sapiens Smoothened homolog FC 19.0 None 10.1016/j.bmc.2012.09.030
Homo sapiens Smoothened homolog IC50 64.0 nM 10.1021/jm2013369
Homo sapiens Smoothened homolog IC50 280.0 nM 10.1016/j.bmcl.2008.11.096
Homo sapiens Smoothened homolog IC50 300.0 nM 10.1021/jm2013369
Homo sapiens Smoothened homolog Inhibition 57.0 % 10.1021/jm2013369
Homo sapiens Smoothened homolog Inhibition 92.0 % 10.1021/jm2013369
Homo sapiens Smoothened homolog Inhibition nan % 10.1021/acs.jmedchem.6b01247
Homo sapiens Smoothened homolog Kd 12.4 nM 10.1016/j.bmc.2012.09.030
Homo sapiens Smoothened homolog Kd 116.0 nM 10.1016/j.bmc.2012.09.030
Homo sapiens Smoothened homolog Ki 12.7 nM 10.1016/j.bmc.2012.09.030
Homo sapiens Smoothened homolog Ki 51.0 nM 10.1021/acs.jmedchem.7b00794
Homo sapiens Smoothened homolog Ki 232.0 nM 10.1016/j.bmc.2012.09.030
Homo sapiens Smoothened homolog Ki nan None 10.1021/acs.jmedchem.7b00794
Homo sapiens SNB-75 IC50 221939.98 nM 10.6019/CHEMBL1201861
Homo sapiens SNU1 IC50 1221073.9 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-16 IC50 284247.69 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-5 IC50 3015038.87 nM 10.6019/CHEMBL1201861
Homo sapiens SNU-C1 IC50 1405001.99 nM 10.6019/CHEMBL1201861
Homo sapiens Sonic hedgehog protein IC50 600.0 nM 10.1021/ml300172p
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Inhib (Mean) -14.17 % 10.6019/CHEMBL5209801
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Inhib (Mean) -10.76 % 10.6019/CHEMBL5209801
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Inhib (Mean) -3.37 % 10.6019/CHEMBL5209801
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Inhib (Mean) 16.8 % 10.6019/CHEMBL5209801
Homo sapiens Sphingosine 1-phosphate receptor Edg-1 %Max (Mean) 6.996 % 10.6019/CHEMBL5209801
Homo sapiens SR IC50 23671.53 nM 10.6019/CHEMBL1201861
Homo sapiens ST486 IC50 277412.06 nM 10.6019/CHEMBL1201861
Homo sapiens SU-DHL-1 IC50 560174.31 nM 10.6019/CHEMBL1201861
Homo sapiens SUP-T1 IC50 1320878.07 nM 10.6019/CHEMBL1201861
Homo sapiens SW684 IC50 2434225.71 nM 10.6019/CHEMBL1201861
Homo sapiens SW872 IC50 863124.55 nM 10.6019/CHEMBL1201861
Homo sapiens SW 954 IC50 1578157.02 nM 10.6019/CHEMBL1201861
Homo sapiens SW 962 IC50 917654.54 nM 10.6019/CHEMBL1201861
Homo sapiens TALL-1 IC50 1625745.89 nM 10.6019/CHEMBL1201861
Homo sapiens TE-1 IC50 595674.28 nM 10.6019/CHEMBL1201861
Homo sapiens TE-10 IC50 1087941.87 nM 10.6019/CHEMBL1201861
Homo sapiens TE-12 IC50 546240.31 nM 10.6019/CHEMBL1201861
Homo sapiens TE-15 IC50 1531711.47 nM 10.6019/CHEMBL1201861
Homo sapiens TE-441-T IC50 1132605.49 nM 10.6019/CHEMBL1201861
Homo sapiens TE-5 IC50 1522667.48 nM 10.6019/CHEMBL1201861
Homo sapiens TE-6 IC50 1231297.78 nM 10.6019/CHEMBL1201861
Homo sapiens TE-8 IC50 2027172.01 nM 10.6019/CHEMBL1201861
Homo sapiens TE-9 IC50 266626.55 nM 10.6019/CHEMBL1201861
Homo sapiens TGBC1TKB IC50 753022.42 nM 10.6019/CHEMBL1201861
Homo sapiens TGW IC50 679378.9 nM 10.6019/CHEMBL1201861
Homo sapiens THP-1 IC50 1471830.29 nM 10.6019/CHEMBL1201861
Homo sapiens TK-10 IC50 1253277.0 nM 10.6019/CHEMBL1201861
Homo sapiens Transcription intermediary factor 1-alpha Delta TM -1.179 C None
Homo sapiens TUR IC50 1966024.97 nM 10.6019/CHEMBL1201861
Homo sapiens Type-1 angiotensin II receptor %Inhib (Mean) -55.02 % 10.6019/CHEMBL5209801
Homo sapiens Type-1 angiotensin II receptor %Inhib (Mean) -8.95 % 10.6019/CHEMBL5209801
Homo sapiens Type-1 angiotensin II receptor %Inhib (Mean) 11.34 % 10.6019/CHEMBL5209801
Homo sapiens Type-1 angiotensin II receptor %Inhib (Mean) 24.7 % 10.6019/CHEMBL5209801
Homo sapiens Type-1 angiotensin II receptor %Max (Mean) 5.096 % 10.6019/CHEMBL5209801
Homo sapiens Tyrosine-protein kinase ABL Delta TM -0.1561 C None
Homo sapiens U-266 IC50 3129204.19 nM 10.6019/CHEMBL1201861
Homo sapiens U2OS Growth Rate 0.0 None 10.6019/CHEMBL4689842
Homo sapiens U2OS Growth Rate 1.0 None 10.6019/CHEMBL4689842
Homo sapiens U-698-M IC50 298243.42 nM 10.6019/CHEMBL1201861
Homo sapiens U-87 MG IC50 2582078.57 nM 10.6019/CHEMBL1201861
Homo sapiens UACC-257 IC50 1027137.41 nM 10.6019/CHEMBL1201861
Homo sapiens UACC-812 IC50 4012448.77 nM 10.6019/CHEMBL1201861
Homo sapiens VA-ES-BJ IC50 937165.6 nM 10.6019/CHEMBL1201861
Homo sapiens Vasopressin V2 receptor Inhibition nan % 10.1016/j.bmc.2012.09.030
Homo sapiens Vitamin D receptor FC 0.9 None 10.1016/j.bmcl.2011.12.081
Homo sapiens Vitamin D receptor FC 1.0 None 10.1021/ml400014t
Homo sapiens Vitamin D receptor FC 1.6 None 10.1016/j.bmcl.2011.12.081
Homo sapiens WSU-NHL IC50 3158833.21 nM 10.6019/CHEMBL1201861
Homo sapiens YT IC50 4288618.79 nM 10.6019/CHEMBL1201861
Homo sapiens Zinc finger protein GLI1 IC50 5000.0 nM 10.1039/C6MD00354K
Homo sapiens Zinc finger protein GLI1 Inhibition nan % 10.1021/jm900106f
Mus musculus C3H 10T1/2 Activity nan None 10.1021/ml300172p
Mus musculus C3H 10T1/2 IC50 620.0 nM 10.1021/jm2013369
Mus musculus C3H 10T1/2 Inhibition 98.0 % 10.1021/jm2013369
Mus musculus MEF Activity nan None 10.1073/pnas.0609699104
Mus musculus Shh Light II Activity 3.2 % 10.1016/j.bmcl.2016.08.008
Mus musculus Shh Light II Activity 4.7 % 10.1016/j.bmcl.2016.08.008
Mus musculus Shh Light II Activity 7.7 % 10.1016/j.bmcl.2016.08.008
Mus musculus Shh Light II Activity 84.1 % 10.1016/j.bmcl.2016.08.008
Mus musculus Smoothened homolog Activity nan None 10.1021/acs.jmedchem.1c01220
Mus musculus Smoothened homolog IC50 484.0 nM 10.1016/j.bmc.2012.09.030
Mus musculus Smoothened homolog IC50 1200.0 nM 10.1016/j.bmcl.2008.11.096
Mus musculus Smoothened homolog IC50 1500.0 nM 10.1021/ml300172p
Mus musculus Smoothened homolog IC50 1900.0 nM 10.1021/ml300172p
Mus musculus Smoothened homolog Inhibition nan % 10.1021/ml300172p
Mus musculus Sonic hedgehog protein Activity nan None 10.1038/nchembio753
Mus musculus Sonic hedgehog protein EC50 500.0 nM 10.1021/jm801420y
Mus musculus Sonic hedgehog protein IC50 300.0 nM 10.1016/j.bmcl.2011.04.103
Mus musculus Sonic hedgehog protein IC50 600.0 nM 10.1016/j.bmcl.2011.04.103
Mus musculus Sonic hedgehog protein IC50 1312.0 nM 10.1016/j.bmc.2009.06.008
Mus musculus Sonic hedgehog protein Inhibition 58.0 % 10.1016/j.bmcl.2011.04.103
Mus musculus Sonic hedgehog protein Inhibition 71.0 % 10.1016/j.bmcl.2011.04.103
Mus musculus Sonic hedgehog protein Inhibition 96.0 % 10.1016/j.bmcl.2011.04.103
Mus musculus Sonic hedgehog protein Inhibition 98.0 % 10.1016/j.bmcl.2011.04.103
Mus musculus Sonic hedgehog protein Inhibition 105.0 % 10.1016/j.bmcl.2011.04.103
Mus musculus Sonic hedgehog protein Inhibition nan % 10.1038/nchembio.142
Mus musculus Sonic hedgehog protein Ratio IC50 11.0 None 10.1016/j.bmc.2009.06.008
Mus musculus Vitamin D receptor FC 0.8 None 10.1021/ml400014t
Mus musculus Vitamin D receptor FC 0.99 None 10.1016/j.bmcl.2011.12.081
Mus musculus Vitamin D receptor FC 1.5 None 10.1021/ml400014t
Oryzias latipes Oryzias latipes Activity nan None 10.1016/j.bmc.2009.06.008
None ADMET PPB 93.24 % 10.6019/CHEMBL3301361
None BC1 cell line IC50 37974.62 nM 10.6019/CHEMBL1201861
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Molecular identity unknown Activity nan None 10.1073/pnas.0609699104
None Molecular identity unknown EC50 170.0 nM 10.1021/jm8008508
None Molecular identity unknown IC50 46.0 nM 10.1016/j.bmcl.2008.11.096
None Molecular identity unknown IC50 74.1 nM 10.1016/j.bmcl.2016.08.040
None Molecular identity unknown IC50 160.0 nM 10.1021/ml400014t
None Molecular identity unknown IC50 430.0 nM 10.1021/ml400014t
None Molecular identity unknown IC50 660.0 nM 10.1021/ml400014t
None Molecular identity unknown IC50 800.0 nM 10.1021/ml400014t
None Molecular identity unknown IC50 nan None 10.1021/ml400014t
None Molecular identity unknown Inhibition 6.93 % 10.1016/j.bmcl.2011.12.081
None Molecular identity unknown Inhibition nan % 10.1016/j.bmcl.2011.12.081
None NON-PROTEIN TARGET Activity 40.0 % 10.1073/pnas.0609699104
None NON-PROTEIN TARGET Activity nan None 10.1021/jm900305z
None NON-PROTEIN TARGET EC50 1000.0 nM 10.1038/nchembio873
None NON-PROTEIN TARGET EC50 13440.0 nM 10.1038/nchembio873
None NON-PROTEIN TARGET EC50 nan None 10.1038/nchembio873
None NON-PROTEIN TARGET IC50 100.0 nM 10.1021/jm2013369
None NON-PROTEIN TARGET IC50 414.0 nM 10.1016/j.bmc.2012.09.030
None NON-PROTEIN TARGET IC50 15500.0 nM 10.1016/j.ejmech.2009.12.067
None NON-PROTEIN TARGET IC50 22500.0 nM 10.1016/j.bmcl.2011.12.081
None No relevant target LogD7.4 2.63 None 10.6019/CHEMBL3301361
None No relevant target solubility nan None 10.1016/j.bmcl.2011.12.081
None No relevant target Solubility 5.0 ug.mL-1 10.1016/j.ejmech.2022.114867
None No relevant target Solubility 5.0 ug.mL-1 10.1021/jm8008508
None No relevant target Stability 60.0 % 10.1021/jm8008508
None No relevant target Stability nan % 10.1016/j.bmcl.2011.12.081
None Unchecked Activity nan None 10.1073/pnas.0609699104
None Unchecked EC50 300.0 nM 10.1016/j.bmc.2010.07.038
None Unchecked IC50 110.0 nM 10.1016/j.bmc.2023.117265
None Unchecked IC50 270.0 nM 10.1016/j.bmc.2023.117265
None Unchecked Inhibition nan % 10.1016/j.bmc.2012.09.030
None Unchecked Inhibition nan % 10.1016/j.bmc.2021.116144
None Unchecked Inhibition nan % 10.1021/np1000818
None Unchecked Potency 35481.3 nM None

Metabolism Information